ピーク情報
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パセリ 根
pos
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| Peak #10476 MN MID: SE61_S24_M90 |
| m/z: 493.23540, RT: 103.38, 強度: 6478, ログ強度: 0.32, アダクト: [M+K]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (16 names) Chisocheton F;Withacoagin;(+)-Withacoagin;Withanolide B;Meldenin;Euglobal VII;14,15-dihydroxy-1-oxowitha-2,5,24-trien-26,22-olide;Euglobal IVa;Macrocarpal C;28-nor-3-oxo-18-acetoxy-witha-1,4-dienolide... |
| DBごとのヒット数: ALL 14 KN 7 HM 5 LM 2 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.086 |
DB検索結果
ppm
| 組成式 | 分子量 | 誤差(Δppm） | 候補化合物名（代表で最短名を記載） | 化合物ID |
|---|---|---|---|---|
| C28H38O5 | 454.27192 | 0.710 | Chisocheton F | KNApSAcK: C00047790 |
| C28H38O5 | 454.27192 | 0.710 | Withacoagin | KNApSAcK: C00033489 |
| C28H38O5 | 454.27192 | 0.710 | Lycium substance B | HMDB: HMDB0030020 KNApSAcK: C00033134 |
| C28H38O5 | 454.27192 | 0.710 | Meldenin | KNApSAcK: C00051524 |
| C28H38O5 | 454.27192 | 0.710 | Euglobal VII | HMDB: HMDB0030037 |
| C28H38O5 | 454.27192 | 0.710 | 14,15-dihydroxy-1-oxowitha-2,5,24-trien-26,22-olide | LipidMAPS: LMST01160023 |
| C28H38O5 | 454.27192 | 0.710 | Euglobal IVa | HMDB: HMDB0030035 |
| C28H38O5 | 454.27192 | 0.710 | Macrocarpal C | HMDB: HMDB0038705 |
| C28H38O5 | 454.27192 | 0.710 | 28-nor-3-oxo-18-acetoxy-witha-1,4-dienolide | LipidMAPS: LMST01160006 |
| C28H38O5 | 454.27192 | 0.710 | Blazeispirol Z | KNApSAcK: C00036820 |
| C28H38O5 | 454.27192 | 0.710 | Euglobal III | HMDB: HMDB0030166 |
| C28H38O5 | 454.27192 | 0.710 | Euglobal V | HMDB: HMDB0030038 |
| C28H38O5 | 454.27192 | 0.710 | 22,23-Dihydronimocinol | KNApSAcK: C00045169 |
| C28H38O5 | 454.27192 | 0.710 | Isomeldenin | KNApSAcK: C00036127 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 493.23563 |
| Splash: splash10-01r6-0015900000-d982ca4b118180f63c2e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 341.09 | 757 | 152 | 1000 |
| 475.40 | 536 | 18 | 708 |
| 461.29 | 532 | 32 | 702 |
| 474.45 | 249 | 19 | 329 |
| 309.12 | 218 | 184 | 288 |
| 433.29 | 205 | 60 | 270 |
| 321.41 | 156 | 172 | 205 |
| 447.42 | 147 | 46 | 194 |
| 435.36 | 134 | 58 | 177 |
| 294.99 | 120 | 198 | 158 |
| 379.33 | 108 | 114 | 142 |
| 476.11 | 102 | 17 | 135 |
| 405.37 | 102 | 88 | 134 |
| 419.22 | 93 | 74 | 122 |
| 434.62 | 91 | 59 | 120 |
| 270.96 | 67 | 222 | 89 |
| 393.25 | 65 | 100 | 85 |
| 323.16 | 63 | 170 | 83 |
| 267.04 | 63 | 226 | 82 |
| 389.51 | 60 | 104 | 78 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.040 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 2OMe) | Flavone | Isopyrenin |
| 0.030 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavanone | Amorisin |
| 0.030 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavanone | Lespedezaflavanone E |
| 0.000 | [Dihydrochalcone]-A(3OH, 1Geranyl)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Dihydrochalcone | 2',4',6',3-Tetrahydroxy-3'-geranyl-6'',6''-dimethylpyrano[2'',3'':4,5]dihydrochalcone |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1Geranyl) | Flavanone | Nymphaeol C |
| 0.000 | [Flavanone]-A(2OH, 1Farnesyl)-B(2OH) | Flavanone | 6-Farnesyl-3',4',5,7-tetrahydroxyflavanone |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Lavandulyl)-B(2OH) | Flavanone | Kushenol B |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Geranyl)-B(2OH) | Flavanone | Macrourone C |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1Geranyl) | Dihydroflavonol | Sanggenol C |
| 0.000 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1Geranyl) | Isoflavanone | Sophoraisoflavanone D |
| Level: 3, プリカーサーm/z: 475.40262 |
| Splash: splash10-0aor-0020900000-76206258d71b06697f0b |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 417.49 | 22 | 58 | 1000 |
| 457.48 | 20 | 18 | 946 |
| 456.72 | 16 | 19 | 760 |
| 431.46 | 12 | 44 | 539 |
| 429.66 | 12 | 46 | 535 |
| 291.17 | 11 | 184 | 518 |
| 447.71 | 8 | 28 | 379 |
| 403.38 | 7 | 72 | 332 |
| 222.84 | 6 | 253 | 263 |
| 459.56 | 4 | 16 | 203 |
| 389.10 | 4 | 86 | 181 |
| 275.52 | 4 | 200 | 168 |
| 411.07 | 4 | 64 | 165 |
| 335.48 | 4 | 140 | 162 |
| 475.61 | 3 | -0 | 138 |
| 359.28 | 3 | 116 | 138 |
| 151.19 | 3 | 324 | 138 |
| 294.20 | 3 | 181 | 137 |
| 252.97 | 3 | 222 | 117 |
| 297.35 | 2 | 178 | 113 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.125 | [Isoflavone]-A(2OH, 2(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Isoflavone | Euchrenone b1 |
| 0.125 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 2(C-Prenyl)) | Isoflavone | Flemiphyllin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano))) | 2'-Hydroxychalcone | Poinsettifolin B |
| 0.000 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Euchrenone a4 |
| 0.000 | [3-substituted Flavone (3-Geranyl)]-A(1OH, 1(C-Prenyl))-B(2OH) | 3-substituted Flavone | Rubraflavone B |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(1OH) | Flavone | Vitexin 2''-O-acetate |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(1OH) | Flavone | Vitexin 3''-O-acetate |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(1OH) | Flavone | Vitexin 6''-O-acetate |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(1OH) | Flavone | Isovitexin 6''-O-acetate |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Acetyl)-Galactosyl))-B(1OH) | Flavone | Apigenin 8-C-(6''-acetylgalactoside) |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Acetyl)-Glucofuranosyl))-B(1OH) | Flavone | 8-C-beta-D-Glucofuranosylapigenin 2''-O-acetate |
| Level: 3, プリカーサーm/z: 341.08826 |
| Splash: splash10-0a4i-0109000000-a675ce1b12fc6dd3812f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 309.25 | 17 | 32 | 1000 |
| 123.22 | 3 | 218 | 175 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.067 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH) | Isoflavanone | Dihydrowighteone |
| 0.067 | [Isoflavanone]-A(1OH, 1(C-Prenyl))-B(2OH) | Isoflavanone | 7,2',4'-Trihydroxy-8-prenylisoflavanone |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavanone | Kushenol S |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavanone | 6-Prenylnaringenin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavanone | Sophoraflavanone B |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl)) | Flavanone | Licoflavanone |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none) | Dihydroflavonol | 8-Prenylpinobanksin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none) | Dihydroflavonol | 6-Prenylpinobanksin |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(2OH) | Flavanone | Euchrenone a7 |
| 0.000 | [2'-Hydroxychalcone]-A(2OH)-B(2OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Broussochalcone A |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(2OH) | 2'-Hydroxychalcone | Morachalcone A |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | 2'-Hydroxychalcone | Psorachalcone A |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | 2'-Hydroxychalcone | Bakuchalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | Bavachromanol |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | 5-Prenyl-6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Helikrausichalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | beta-Hydroxy(or Oxodihydro)chalcone | 5'-Prenyllicodione |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH)-B(1OH, 1(C-Prenyl)) | beta-Hydroxy(or Oxodihydro)chalcone | Kanzonol A |
| 0.000 | [Dihydrochalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Dihydrochalcone | Crotin (chalcone) |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | Dihydrochalcone | 2',6'-Dihydroxy-4'-methoxy-3'-prenyldihydrochalcone |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | Flavanone | Brosimacutin D |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | Flavanone | Brosimacutin E |
| 0.000 | [Flavanone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(none) | Flavanone | 5,7-Dihydroxy-8-C-(4-hydroxy-3-methyl-2-butenyl)flavanone |
| 0.000 | [Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-6-(1,1-dimethylallyl)flavanone |
| 0.000 | [Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH) | Flavanone | Ugonin E |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(1OH) | Flavanone | 5,4'-Dihydroxy-4'',4''-Dimethyl-5''-[2'',3'':7,6]methyldihydrofuranoflavanone |
| 0.000 | [Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy)) | Flavone | 7-Methoxy-5,6:3',4'-bis(methylenedioxy)flavone |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | CCS-type derivative / [3,2']-Epoxymethanoflavone | Pulcherrimin |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavan | 2'-O-Methylphaseollidinisoflavan |
| 0.000 | [Isoflavan]-A(1OH, 1(1,1-Dimethylallyl))-B(1OH, 1OMe) | Isoflavan | Millinol B |
| 0.000 | [Isoflavan]-A(1OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavan | 4'-O-Methylpreglabridin |
| 0.000 | [isoflavan-4-ol]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | isoflavan-4-ol | Ambanol |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl)) | Pterocarpan | 10-(2-Hydroxy-3-methyl-3-butenyl)demethylmedicarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan-6a-ol | Sandwicarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan-6a-ol | Glyceocarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan-6a-ol | Glyceollidin I |
| 0.000 | [2-Phenylbenzofuran]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | 2-Phenylbenzofuran | Licocoumarone |